CID 120219

359-12-6

Structural Information

Molecular Formula

SMILES

C(#N)C(F)F

InChI

InChI=1S/C2HF2N/c3-2(4)1-5/h2H

InChIKey

DQFXLCKTFSDWHB-UHFFFAOYSA-N

Compound name

2,2-difluoroacetonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1001
Patents: 77.007706 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	78.014982	103.4
[M+Na]+	99.996924	113.6
[M-H]-	76.000430	102.4
[M+NH4]+	95.041529	125.2
[M+K]+	115.97086	113.9
[M+H-H2O]+	60.004966	91.7
[M+HCOO]-	122.00591	122.3
[M+CH3COO]-	136.02156	177.0
[M+Na-2H]-	97.982372	110.6
[M]+	77.007157	95.6
[M]-	77.008255	95.6

Literature stripe

literature stripe

Patent stripe

patents stripe